SCHEMBL3338949

SCHEMBL3338949

CCC(=Cc1c(C)nc(SC)nc1NC1CCOC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
PPARG P37231 1/20 0.34
MEN1 O00255 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
SYK P43405 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3338938 1.00 ADORA3 (0.34) ADORA3ADORA2AADORA2BADORA1PPARG
SCHEMBL3338943 0.79 CNKSR1 (0.34) ADORA3ADORA2AADORA2BADORA1PPARG
SCHEMBL1900693 0.77 KDM4E (0.36) PPARGKDM4EMAPK1
SCHEMBL1900697 0.77 KDM4E (0.36) PPARGKDM4EMAPK1
SCHEMBL1898975 0.75 KDM4E (0.35) KDM4EMAPK1
SCHEMBL1898976 0.75 KDM4E (0.35) KDM4EMAPK1
SCHEMBL3338843 0.72 MEN1 (0.37) ADORA3ADORA2AADORA2BADORA1PPARG
SCHEMBL5748532 0.68 PDE4B (0.44) ADORA3ADORA2AADORA2BADORA1PPARG
SCHEMBL27196850 0.68 MEN1 (0.42) ADORA1PPARGMEN1GABBR2CYP1A2
SCHEMBL5744853 0.67 ALDH1A1 (0.55) MEN1KMT2ATDP1KDM4EMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142543-B1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-05-22 EP disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 US disclosed
EP-2142543-A1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-13 EP disclosed
WO-2008127678-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD ADORA3 1892/4885ADORA2A 3421/4885ADORA2B 3799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.